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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:mono(2-ethylhexyl) phthalate
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Accession:CHEBI:17243 term browser browse the term
Definition:The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
Synonyms:exact_synonym: 2-(2-ethylhexyloxycarbonyl)benzoic acid
 related_synonym: 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester;   2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid;   2-Ethylhexyl phthalate;   2-ethylhexyl hydrogen phthalate;   Formula=C16H22O4;   InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18);   InChIKey=DJDSLBVSSOQSLW-UHFFFAOYSA-N;   MEHP;   SMILES=CCCCC(CC)COC(=O)c1ccccc1C(O)=O;   monoethylhexyl phthalate;   phthalic acid, 2-ethylhexyl ester
 alt_id: CHEBI:1094;   CHEBI:11575
 xref: Beilstein:3206630;   CAS:4376-20-9;   KEGG:C03343;   LINCS:LSM-36855
 xref_mesh: MESH:C016599
 cyclic_relationship: is_conjugate_acid_of CHEBI:58071


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5162
    role 5116
      biological role 5116
        biochemical role 5052
          volatile oil component 31
            2-ethylhexan-1-ol 0
              mono(2-ethylhexyl) phthalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5162
    subatomic particle 5153
      composite particle 5153
        hadron 5140
          baryon 5140
            nucleon 5153
              atomic nucleus 5140
                atom 5153
                  main group element atom 5125
                    p-block element atom 5122
                      carbon group element atom 5028
                        carbon atom 5039
                          organic molecular entity 5039
                            heteroorganic entity 4883
                              organochalcogen compound 4837
                                organooxygen compound 4789
                                  carbon oxoacid 393
                                    carboxylic acid 389
                                      aromatic carboxylic acid 138
                                        benzoic acids 136
                                          benzenedicarboxylic acid 39
                                            phthalic acid 39
                                              phthalate ester 39
                                                phthalic acid monoester 39
                                                  mono(2-ethylhexyl) phthalate 0
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